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Α-Spinasterol glucoside

CAT: 1410-M38837-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M38837-02Size:5 mg
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Description
Α-Spinasterol-3-O-β-D-glucoside is a sterol glucoside that can be isolated from the seeds of Momordica cochinchinensis.
CAS Number
1745-36-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
574.83
Molecular Formula
C35H58O6
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Spinasterol 3-O-beta-D-glucopyranoside

Spinasteryl glucoside has been reported in Camellia sinensis, Securidaca longepedunculata, and other organisms with data available.

CAS Number1745-36-4
PubChem CID12960505
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC35H58O6
Molecular Weight574.8
XLogP6.7
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity962
SMILES
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C
InChI
InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+/t21-,22-,23+,24+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChIKey
ITYGLICZKGWOPA-FDZHQVDOSA-N
Chemical Structure
2D Structure
2D structure of Spinasterol 3-O-beta-D-glucopyranoside
CAS: 1745-36-4
CID: 12960505
Formula: C35H58O6
MW: 574.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.8
XLogP36.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass574.42333957
Monoisotopic Mass574.42333957
Topological Polar Surface Area99.4 Ų
Heavy Atom Count41
Formal Charge0
Complexity962
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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